SCHEMBL1064263

SCHEMBL1064263

CC(C(=O)O)C(O)CCCCCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
KCNA3 P22001 1/20 0.48
HPGD P15428 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
RARB P10826 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
LMNA P02545 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1083669 1.00 TDP1 (0.49) TDP1KCNA3HPGDHDAC1HDAC2
SCHEMBL11652148 0.81 LTB4R (0.56) TDP1KCNA3HPGDHDAC1HDAC2
SCHEMBL4756791 0.80 TDP1 (0.61) TDP1KCNA3HDAC1HDAC2L3MBTL1
SCHEMBL5508343 0.80 TDP1 (0.61) TDP1KCNA3HDAC1HDAC2L3MBTL1
SCHEMBL17201876 0.80 KCNA3 (0.59) TDP1KCNA3HPGDHDAC1HDAC2
SCHEMBL10933261 0.79 KCNA3 (0.57) TDP1KCNA3HPGDHDAC1HDAC2
SCHEMBL6247219 0.79 KCNA3 (0.61) TDP1KCNA3HPGDHDAC1HDAC2
SCHEMBL7804282 0.79 KCNA3 (0.61) TDP1KCNA3HPGDHDAC1HDAC2
SCHEMBL5514899 0.79 TDP1 (0.63) TDP1KCNA3HPGDHDAC1HDAC2
SCHEMBL11068531 0.77 KCNA3 (0.64) TDP1KCNA3HPGDHDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658403-B2 Method for producing polyhydroxyalkanoic acid INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2014-02-25 US disclosed
US-20110020886-A1 METHOD FOR PRODUCING POLYHYDROXYALKANOIC ACID INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2011-01-27 US disclosed